SCHEMBL461785

SCHEMBL461785

CCN1CCC(C)(NC(=O)c2ccc3c(c2)CC(C(=O)NO)CC3)CC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 10/20 0.41
HDAC6 Q9UBN7 8/20 0.39
MCHR1 Q99705 1/20 0.36
OPRM1 P35372 2/20 0.35
OPRD1 P41143 2/20 0.35
OPRK1 P41145 2/20 0.35
KDM2B Q8NHM5 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL459911 0.88 MCHR1 (0.38) HDAC8MCHR1
SCHEMBL435822 0.85 DRD2 (0.34) OPRM1OPRD1OPRK1
SCHEMBL10197813 0.74 DRD2 (0.39) MCHR1OPRM1OPRD1OPRK1
SCHEMBL10197709 0.73 HDAC8 (0.46) HDAC8HDAC6
SCHEMBL435989 0.73 CCR2 (0.46)
SCHEMBL10265275 0.73 HDAC8 (0.49) HDAC8HDAC6
SCHEMBL436430 0.72 GHSR (0.42) MCHR1OPRM1OPRD1OPRK1
SCHEMBL21652014 0.72 CHRM1 (0.52) MCHR1
SCHEMBL10197703 0.71 PARP1 (0.46) HDAC8HDAC6
SCHEMBL21652021 0.70 HSD11B1 (0.46) MCHR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 HDAC8 13/4885HDAC6 1/4885MCHR1 3260/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 HDAC8 19/4885HDAC6 1/4885MCHR1 2145/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.